(4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one

C10H16O2 — CID 13367846

IUPAC(4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one
SMILESCC(C)=CC[C@H]1OC(=O)C[C@H]1C
InChIInChI=1S/C10H16O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyARNPQYFYGKMXGD-RKDXNWHRSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

About (4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one

(4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one (PubChem CID 13367846) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one
PubChem CID13367846
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one
SMILESCC(C)=CC[C@H]1OC(=O)C[C@H]1C
InChIInChI=1S/C10H16O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyARNPQYFYGKMXGD-RKDXNWHRSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one?
The IUPAC name of (4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one (CID 13367846) is (4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one.
What is the SMILES notation for (4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one?
The canonical SMILES for (4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one is CC(C)=CC[C@H]1OC(=O)C[C@H]1C.
What is the InChIKey of (4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one?
The InChIKey is ARNPQYFYGKMXGD-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one?
(4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one is sourced from PubChem (CID 13367846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).